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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211616

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1211616
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['K', 'Tm', 'I']
  • Chemical System: I-K-Tm
  • Density: 4.356524442853489
  • Atomic Density: 0.023580998783115203
  • Unit Cell Volume: 848.1404958266942
  • Molar Volume: 25.538107250622723
  • Full Formula: K5 Tm3 I12
  • Reduced Formula: K5(TmI4)3
  • Formula Anonymous: A3B5C12
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m

Thermodynamics:

  • Final energy: -68.49097372
  • Final energy per atom: -3.424548686
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.